氯美噻唑

氯美噻唑 基本信息
CAS号 533-45-9 分子式 C6H9Cl2NS
分子量 198.11300 精确质量  196.98300
PSA  41.13000 LogP  3.03480

基本信息 展开↓

CAS号:
533-45-9
3D弹球模型:
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分子式:
C6H9Cl2NS
分子量:
198.11300
中文名称:
氯美噻唑
英文名称:
5-(2-chloroethyl)-4-methyl-1,3-thiazole
中文别名:
氯美噻唑;
5-(2-氯乙基)-4-甲基噻唑
英文别名:
5-(2-chloroethyl)-4-methyl-1,3-thiazole;
Clomethiazole;
Emineurina;
Chlormethiazole;
Clomethiazol;
Distraneurin;
Chlormethiazol;
Clomethiazolum;
Clometiazole
精确分子量/精确质量:
196.98300
极性分子表面积/PSA:
41.13000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
208-565-7
InChI:
The Key: PCLITLDOTJTVDJ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.218 g/cm3
沸点:
245.8ºC at 760 mmHg
闪点:
102.4ºC
存储条件/存储方法:
库房低温通风干燥

安全信息展开↓

海关代码:
2934100090

合成路线查看所有的合成路线

  • 137-00-8

    4-甲基-5-(beta-羟乙基)噻唑

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    3,5-二氯-2-戊酮

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    氯美噻唑

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    氯美噻唑

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ3850000
CHEMICAL NAME :
Thiazole, 5-(2-chloroethyl)-4-methyl-
CAS REGISTRY NUMBER :
533-45-9
BEILSTEIN REFERENCE NO. :
0114244
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H8-Cl-N-S
MOLECULAR WEIGHT :
161.66
WISWESSER LINE NOTATION :
T5N CSJ D2G E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2110 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,167,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
190 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 8,39,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
94 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 7,423,1970

海关数据查看详细

中国海关编码:2934100090

概述:
2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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